ACCESSION: MSBNK-RIKEN_NPDepo-NGA03030
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Organic chemicals, Polycyclic compounds, Anthracenes

CH$NAME: N-succinoylanthranilic acid
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C₁₁H₁₁NO₅
CH$EXACT_MASS: 237.214
CH$SMILES: O=C(O)CCC(O)=Nc1ccccc1C(=O)O
CH$IUPAC: InChI=1S/C11H11NO5/c13-9(5-6-10(14)15)12-8-4-2-1-3-7(8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)
CH$LINK: CAS 5694-37-1
CH$LINK: CHEMSPIDER 669451 253286
CH$LINK: INCHIKEY OGPDRYVIHAFSNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70972381
CH$LINK: PUBCHEM CID:287263

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-1910000000-fcbbd5f623275ac24737
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  54.5 1.83 1
  54.6 3.05 3
  54.7 4.5 4
  54.8 6.07 6
  54.9 7.3 7
  55.0 7.38 7
  55.1 6.04 6
  55.2 3.98 3
  72.5 2.07 2
  72.6 3.64 3
  72.7 5.56 5
  72.8 7.62 7
  72.9 9.4 9
  73.0 10.6 10
  73.1 11.3 11
  73.2 11.31 11
  73.3 9.7 9
  73.4 6.18 6
  73.5 2.31 2
  100.5 3.78 3
  100.6 6.34 6
  100.7 12.12 12
  100.8 20.03 20
  100.9 27.11 27
  101.0 30.86 30
  101.1 30.53 30
  101.2 26.37 26
  101.3 19.06 19
  101.4 10.47 10
  101.5 3.52 3
  119.0 1.46 1
  119.1 2.6 2
  119.2 4.96 4
  119.3 8.67 8
  119.4 12.2 12
  119.5 16.5 16
  119.6 25.85 25
  119.7 43.45 43
  119.8 66.35 66
  119.9 86.88 86
  120.0 98.69 98
  120.1 100.0 99
  120.2 91.87 91
  120.3 75.34 75
  120.4 51.93 51
  120.5 26.43 26
  120.6 6.97 6
  120.7 0.07 0
  173.4 2.37 2
  173.5 3.34 3
  173.6 4.3 4
  173.7 5.38 5
  173.8 6.24 6
  173.9 6.63 6
  174.0 6.99 6
  174.1 7.5 7
  174.2 7.21 7
  174.3 5.28 5
  174.4 2.49 2
  201.5 1.7 1
  201.6 3.35 3
  201.7 6.28 6
  201.8 12.0 11
  201.9 20.7 20
  202.0 28.51 28
  202.1 30.35 30
  202.2 24.5 24
  202.3 14.35 14
  202.4 5.25 5
  202.5 0.53 0
//